2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H19N5OS — CID 122192866

IUPAC2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C23H19N5OS/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)30-15-23(29)28-22-7-4-19(13-27-22)21-14-24-10-11-26-21/h2-14H,15H2,1H3,(H,27,28,29)
InChIKeyOGSRYQZSSXXEKO-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192866) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192866
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C23H19N5OS/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)30-15-23(29)28-22-7-4-19(13-27-22)21-14-24-10-11-26-21/h2-14H,15H2,1H3,(H,27,28,29)
InChIKeyOGSRYQZSSXXEKO-UHFFFAOYSA-N
XLogP4.64
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192866) is 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2ccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is OGSRYQZSSXXEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)30-15-23(29)28-22-7-4-19(13-27-22)21-14-24-10-11-26-21/h2-14H,15H2,1H3,(H,27,28,29).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 413.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).